Table 1 Molecular docking results of the bioactive compounds extracted from Cladosporium spp. against estrogen receptor alpha (PDB: 6CBZ) protein.
SI No | Compound name | Binding energy (Kcal/mol) |
|---|---|---|
1 | Aspispermidin-20-ol 1-acetyl-17-methoxy | − 7.4 |
2 | Cladosporine A | − 8.1 |
3 | Cytochalasin D | − 8.0 |
4 | 2-Methylacetate-3,5,6-trimethylpyrazine | − 6.6 |
5 | Lunatoic acid | − 7.0 |
6 | (6bS,7R,8S)-4,9-Dihydroxi-7,8-dimethoxy-1,6b,7,8-tetra-hydro-2H-benzo[J]- | |
-fluoranthen-3-one | − 7.6 | |
7 | (6bR,7R,8S)-Methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[J]- | |
-fluoranthen-3-one | − 9.1 | |
8 | (6bS,7R,8S)-Methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[J]- | |
-fluoranthen-3-one | − 7.4 | |
9 | Coniochaetone A | − 8.1 |
10 | Coniochaetone B | − 8.2 |
11 | Coniochaetone K | − 8.5 |
12 | Cladosporinone | − 7.3 |
13 | Viriditoxin | − 7.5 |
14 | Viriditoxin SC-28763 | − 7.4 |
15 | Viriditoxin SC-30532 | − 7.6 |
16 | Cladospolide F | − 6.7 |
17 | Cladospolide G | − 6.9 |
18 | Ent-Cladospolide F | − 6.6 |
19 | 11-Hydroy-gamma-dodecalactone | − 6.4 |
20 | Iso-Cladospolide B | − 6.9 |
21 | Citrinin H1 | − 7.4 |
22 | Cladosporin A | − 6.9 |
23 | Cladosporin B | − 6.8 |
24 | Cladosporin C | − 8.3 |
25 | Cladosporin D | − 6.7 |
26 | Cladosporin | − 9.2 |
27 | 5’-Hydroxyasperentin | − 9.4 |
28 | Isocladosporin | − 8.6 |
29 | Cladoscyclitol B | − 6.7 |
30 | 3-Hydroxy-2,4,5-trimethylphenyl-4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]- | |
2-hydroxy-3,6-dimethylbenzoate | − 8.5 | |
31 | 3-Hydroxy-2,5-dimethylphenyl-2,4-dihydroxy-3,6-dimethylbenzoate | − 9.3 |
32 | 3-Hydroxy-2,4,5-dimethylphenyl-4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]- | |
2-hydroxy-3,6-dimethylbenzoate | − 7.7 | |
33 | (2S)-7,4’-Dihydroxy-5-methoxy-8-(gamma,gamma-dimethyallyl(-favanone | − 7.3 |
34 | Cladosporamide A | − 8.6 |
35 | Cladocladosin A | − 7.9 |
36 | Cladospolide B | − 7.9 |
37 | 5R-Hydroxyrecifeiolide | − 7.4 |
38 | 5S-Hydroxyrecifeiolide | − 7.9 |
39 | 5Z-7-Oxozeaenol | − 7.7 |
40 | Pandangolide 1 | − 7.4 |
41 | Pandangolide 3 | − 7.1 |
42 | Sporiolide A | − 8.5 |
43 | Sporiolide B | − 7.9 |
44 | Thiocladospolide A | − 8.0 |
45 | Thiocladospolide B | − 7.8 |
46 | Thiocladospolide C | − 7.5 |
47 | Thiocladospolide D | − 7.0 |
48 | Thiocladospolide F | − 8.0 |
49 | Thiocladospolide F bis | − 8.7 |
50 | Thicladospolide G | − 7.9 |
51 | Thicladospolide G bis | − 7.7 |
52 | Thicladospolide H | − 8.3 |
53 | Thicladospolide I | − 7.3 |
54 | Thicladospolide J | − 7.7 |
55 | Zeanol | − 8.0 |
56 | Cladonaphehrom A | − 7.4 |
57 | Cladonaphehrom B | − 6.9 |
58 | Cladosporol A | − 8.7 |
59 | Cladosporol B | − 8.1 |
60 | Cladosporol C | − 9.6 |
61 | Cladosporol D | − 8.0 |
62 | Cladosporol E | − 8.2 |
63 | Cladosporol F | − 8.6 |
64 | Cladosporol G | − 8.1 |
65 | Cladosporol G bis | − 7.4 |
66 | Cladosporol H | − 10.3 |
67 | Cladosporol I | − 8.5 |
68 | Cladosporol J | − 9.9 |
69 | Cladosporone A | − 7.7 |
70 | (3S)-3,8-Dihydroxy-6,7-dimethyl-alpha-tetralone | − 7.7 |
71 | Scytalone | − 7.2 |
72 | Anhydrofusarubin | − 7.5 |
73 | Fusarubin methyl ether | − 7.2 |
74 | Altertoxin VIII | − 9.9 |
75 | Altertoxin IX | − 9.9 |
76 | Altertoxin X | − 10.5 |
77 | Altertoxin XI | − 9.9 |
78 | Altertoxin XII | − 9.4 |
79 | Calphostin A | − 6.2 |
80 | Calphostin B | − 6.5 |
81 | Calphostin C | − 7.3 |
82 | Calphostin D | − 6.9 |
83 | Calphostin I | − 9.2 |
84 | Pheichrome | − 6.1 |
85 | Cladospolide E | − 6.5 |
86 | Seco-patulolide A | − 6.5 |
87 | Seco-patulolide C | − 6.2 |
88 | (3S,5S,11S)-Trihydroxydodecanoic acid | − 6.3 |
89 | Cladosporide A | − 7.1 |
90 | Cladosporide B | − 7.3 |
91 | Cladosporide C | − 6.9 |
92 | 3-alpha-Hydroxy-pregn-7-ene-6,20-dione | − 9.0 |
93 | Cladodionen | − 8.0 |
94 | Cladosin B | − 6.9 |
95 | Cladosin C | − 7.3 |
96 | Cladosin F | − 7.1 |
97 | Cladosin I | − 7.0 |
98 | Cladosin J | − 7.6 |
99 | Cladosin K | − 7.3 |
100 | Cladosin L | − 7.2 |
101 | Cladosin L bis | − 7.3 |
102 | Cladosporicin A | − 7.8 |
103 | Cladosporiumin I bis | − 8.6 |
104 | Cladosporiumin J bis | − 6.8 |
105 | Malettinin A | − 7.6 |
106 | Malettinin B | − 8.6 |
107 | Malettinin C | − 9.5 |
108 | Malettinin E | − 8.3 |
109 | Conioxanthone A | − 7.5 |
110 | 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate | − 7.1 |
111 | Alpha-Diversonolic ester | − 8.3 |
112 | Beta-Diversonolic ester | − 8.9 |
113 | 8-Hydroxy-6-methylxanthone-1-carboxylic acid | − 8.7 |
114 | Methyl-8-hydroxy-6-(hydroxymethyl)-9-oxo-9H-xanthene-1-carboxylate | − 8.5 |
115 | Methyl-8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate | − 8.5 |
116 | 8-(Methoxycarbonyl)-1-hydroxy-9-oxo-9H-xanthene-3-carboxylic acid | − 9.0 |
117 | Vertixanthone | − 8.2 |
118 | Acetyl Sumiki’s acid | − 6.3 |
119 | 1,1’-Dioxine-2,2’-dipropionic acid | − 6.6 |
120 | 4-O-alpha-D-ribofuranose-2-pentyl-3-phemethylol | − 6.7 |
121 | Sumiki’s acid | − 5.6 |
122 | Taxol | − 7.1 |
123 | Vermistatin | − 7.0 |
124 | 17\(\upbeta\)-Estradiol (Reference Compound) | − 10.2 |
